Lot numbers can be found on the outside label of a product:
Ethyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
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CAS No. 57513-54-9
- Cat. No. CS-0312979
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 57513-54-9
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General Information
- CAS No. 57513-54-9
- Cat. No. CS-0312979
- Purity ≥98%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₁₃NO₄
- Molecular Weight 247.25
- Synonym(s) ETHYL 4-HYDROXY-1-METHYLCARBOSTYRIL-3-CARBOXYLATE
- SMILES CCOC(=O)C1=C(C2=CC=CC=C2N(C)C1=O)O
Description
Ethyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate features a fused quinoline core with orthogonal functional groups enabling diverse synthetic transformations. The phenolic hydroxyl and ester moieties facilitate derivatization, while the methyl and carbonyl substituents confer stability and regioselective reactivity under standard conditions.
Application
Ethyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling access to substituted quinoline scaffolds via standard coupling and functionalization protocols. The molecule’s hydroxyl and ester functionalities support orthogonal transformations, while the methylated quinoline core exhibits bench stability and compatibility with diverse reaction conditions, facilitating efficient construction of medicinally relevant frameworks.
Synthesis
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Route1
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In-stock
10328-92-4 -
105-53-3 - ~80%
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In-stock
57513-54-9
References
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Ismaili, Lhassane; Refouvelet, Bernard; Robert, Jean Francois Journal of Heterocyclic Chemistry, 1999 , vol. 36, # 3 p. 719 - 722
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Route2
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141-52-6
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85-91-6 -
1663-67-8
- ~72%
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In-stock
57513-54-9
References
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Carrer, Amandine; Brion, Jean-Daniel; Messaoudi, Samir; Alami, Mouad Advanced Synthesis and Catalysis, 2013 , vol. 355, # 10 p. 2044 - 2054
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Route3
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In-stock
118-48-9 - ~%
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In-stock
57513-54-9
References
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Joensson, Stig; Andersson, Gunnar; Fex, Tomas; Fristedt, Tomas; Hedlund, Gunnar; Jansson, Karl; Abramo, Lisbeth; Fritzson, Ingela; Pekarski, Olga; Runstroem, Anna; Sandin, Helena; Thuvesson, Ingela; Bjoerk, Anders Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 2075 - 2088
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 68.53
- LogP 1.4208
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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